Chemical composition analysis of the essential oil of Solanumn nigrum L. by HS/SPME method and calculation of the biochemical coefficients of the components

The volatile constituents of the essential oil of wild Solanumn nigrum L. obtained from the Kurdistan of Iraq were extracted by head-space/solid-phase micro-extraction (HS/SPME) and were analyzed by gas chromatography (GC) and gas chromatography/mass spectrometry (GC/MS). Of a total of twenty compounds in the oil, all of them were identified. The main components were as follows: Dillapiole (22.22%), α-Cadinol (16.47%), para-Cymene (10.01%), (E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one or β-damascenone (9.08%), α-Phellandrene (8.48%), β-Pinene (5.93%), α-Bisabolol acetate (4.53%), (Z,E)-4,6,8-Megastigmatriene (4.09%), Phytol (2.49%), Linalyl butanoate (2.13%), 8-methylene-tricyclo[3.2.1.0(2,4)]octane (2.60%) and Limonene (2.03%). Some physicochemical properties, such as the logarithm of calculated octanol–water partitioning coefficients (log Kow) and total biodegradation (TBd in mol/h) were calculated for compounds 1–20 from S. nigrum L.